CAS 18685-18-2 3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose (HCID 97907)

기본 정보

CAS: 18685-18-2
표준 SMILES: CC1(C)OCC(C2OC3OC(C)(C)OC3C2OCc2ccccc2)O1
InChIKey: ZHFVGOMEUGAIJX-UHFFFAOYSA-N
분자식: C19H26O6
평균 분자량: 350.4 g/mol

이름 및 식별자

우선 이름: 3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose
IUPAC: 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
영어명: 3-O-Benzyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose
분자식: C19H26O6
분자량: 350.41

이름 및 동의어

18685-18-23-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxolealpha-D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-NSC 56267MFCD002699293-O-Benzyl-1,2:5,6-Di-O-isopropylidene-a-D-glucofuranoseBRN 0043822NSC562671,2:5,6-Bis-O-(1-methylethylidene)-3-O-(phenylmethyl)-alpha-D-glucofuranoseSCHEMBL2312455(3aR,5R)-6-[(Benzyl-4-D)oxy]-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole

이름 더 보기

materia3-O-Benzyl–Diacetone-D-Glucofuranose5,6-di-O-isopropylidene-α-D-glucofuranose5,6-Di-O-Isopropylidene-a-D-Glucofuranose3-O-Benzyl-1,2,5,6-di-O-isopropylidene-alpha-D-gluco3-O-Benzyl-1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose1,2-5,6-Di-O-isopropylidene-3-O-benzyl-α-D-glucofuranoside3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose min. 98%

(4R)-4-[(3aR,5R,6R,6aR)-6-(benzyloxy)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolaneMFCD32852091NSC-56267AKOS030254888MB04263PS-11003SY246335SY365058

물성

구조 계산 물성

XLogP: 2
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 25
형식 전하: 0
복잡도: 473

물리화학적 성질

녹는점: 60 · 60-65 C
끓는 점: 127 · 127-128 C
밀도: 1.094 · 1.094
굴절률: 1.4925 · 1.4925
저장 조건: Refrigerator
용해도: 클로로포름에 용해됨
물리적 상태: 기름
색상: 무색~담황색
InChI: InChI=1/C19H26O6/c1-18(2)21-11-13(23-18)14-15(20-10-12-8-6-5-7-9-12)16-17(22-14)25-19(3,4)24-16/h5-9,13-17H,10-11H2,1-4H3/t13-,14-,15+,16-,17-/s3
InChIKey: ZHFVGOMEUGAIJX-KLFIJBQVNA-N
SMILES: [C@@H]1(OCC2=CC=CC=C2)[C@H]2OC(C)(C)O[C@H]2O[C@]1([H])[C@@]1([H])COC(C)(C)O1 |&1:0,9,15,17,19,r|

화학적 성질

Light Yellow Oil

안전 및 규제

안전 데이터

독성: mouse,LD50,oral,> 4gm/kg (4000mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 986, 1979.
HS 번호: 2940000080
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36